AO-022/41827788
TL;DR: AO-022/41827788 (CAS 799776-91-3) is a chemical compound with molecular formula C26H25N3O4S and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: AO-022/41827788, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(o-tolyl)acetamide, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C26H25N3O4S |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 4.5102 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1566 |
| Heavy Atoms | 34 |
| Complexity | 1258.9323 |
Chemical Identifiers
| CAS Number | 799776-91-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC(=C(C=C4)O)OC)C#N |
Product Overview
AO-022/41827788 (CAS 799776-91-3), with molecular formula C26H25N3O4S and molecular weight 475.16 g/mol. IUPAC: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of AO-022/41827788
Property Insights of AO-022/41827788
The XLogP value of 4.5102 indicates that AO-022/41827788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41827788. Following Lipinski's Rule of Five, AO-022/41827788 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/41827788?
The CAS number of AO-022/41827788 is 799776-91-3.
What is the molecular formula of AO-022/41827788?
The molecular formula of AO-022/41827788 is C26H25N3O4S.
What is the molecular weight of AO-022/41827788?
The molecular weight of AO-022/41827788 is 475.16 g/mol.
Where can I buy AO-022/41827788?
You can request a quote for AO-022/41827788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41827788?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41827788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.